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Journal of Chemical Theory and Computation|December 1, 2015
Peptide Partitioning and Folding into Lipid BilayersJakob P Ulmschneider, Jacques P F Doux, J Antoinette Killian, et al.
Chemical Science|September 12, 2022
Non-ergodicity of a globular protein extending beyond its functional timescaleJun Li, JingFei Xie, Aljaž Godec, et al.
The Journal of Chemical Physics|July 5, 2011
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamicsJan-Hendrik Prinz, John D Chodera, Vijay S Pande, et al.
Biophysical Journal|April 3, 2018
Ensemble Docking in Drug DiscoveryRommie E Amaro, Jerome Baudry, John Chodera, et al.
Endocrinology|March 24, 2016
Evidence for Osteocalcin Binding and Activation of GPRC6A in β-CellsMin Pi, Karan Kapoor, Ruisong Ye, et al.
Journal of Chemical Theory and Computation|February 22, 2024
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic SolventsMood Mohan, Karuna Devi Jetti, Micholas Dean Smith, et al.
Journal of Computational Chemistry|October 12, 2019
The AQUA-MER databases and aqueous speciation server: A web resource for multiscale modeling of mercury speciationPeng Lian, Luanjing Guo, Deepa Devarajan, et al.
Journal of Immunology (Baltimore, Md. : 1950)|August 3, 2021
Design of Broadly Cross-Reactive M Protein-Based Group A Streptococcal VaccinesMichelle P Aranha, Thomas A Penfound, Sanaz Salehi, et al.
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